dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate

C20H19N3O4 — CID 168570718

IUPACdimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1ccc(-c2cn3ccc(C)cc3n2)cc1)C(=O)OC
InChIInChI=1S/C20H19N3O4/c1-13-8-9-23-12-17(22-18(23)10-13)14-4-6-15(7-5-14)21-16(20(25)27-3)11-19(24)26-2/h4-12,21H,1-3H3/b16-11+
InChIKeyNJUGDLFQCLJCPR-LFIBNONCSA-N
MW365.39 g/mol
LogP2.95
Rot. Bonds5

About dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate

dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate (PubChem CID 168570718) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
PubChem CID168570718
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namedimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1ccc(-c2cn3ccc(C)cc3n2)cc1)C(=O)OC
InChIInChI=1S/C20H19N3O4/c1-13-8-9-23-12-17(22-18(23)10-13)14-4-6-15(7-5-14)21-16(20(25)27-3)11-19(24)26-2/h4-12,21H,1-3H3/b16-11+
InChIKeyNJUGDLFQCLJCPR-LFIBNONCSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089854
5-chloro-2-methoxy-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089750
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentanecarboxamide
CID 121089730
dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
CID 168567257
5-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122284703
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbutanamide
CID 121028737
1-(3-fluorophenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089870
3,5-dimethyl-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 122284718
1-(2-ethylphenyl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121089872
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide
CID 122284723
2-(1,3-dioxoisoindol-2-yl)-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 78832688

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate (CID 168570718) is dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate is COC(=O)/C=C(/Nc1ccc(-c2cn3ccc(C)cc3n2)cc1)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The InChIKey is NJUGDLFQCLJCPR-LFIBNONCSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-8-9-23-12-17(22-18(23)10-13)14-4-6-15(7-5-14)21-16(20(25)27-3)11-19(24)26-2/h4-12,21H,1-3H3/b16-11+.
What are the key properties of dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate has a molecular weight of 365.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate is sourced from PubChem (CID 168570718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).